ethane;5-(methoxymethyl)pyrrolidin-3-ol

C8H19NO2 — CID 162382010

IUPACethane;5-(methoxymethyl)pyrrolidin-3-ol
SMILESCC.COCC1CC(O)CN1
InChIInChI=1S/C6H13NO2.C2H6/c1-9-4-5-2-6(8)3-7-5;1-2/h5-8H,2-4H2,1H3;1-2H3
InChIKeyGMGQTXLZJJVNTG-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.38
Rot. Bonds2

About ethane;5-(methoxymethyl)pyrrolidin-3-ol

ethane;5-(methoxymethyl)pyrrolidin-3-ol (PubChem CID 162382010) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is ethane;5-(methoxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;5-(methoxymethyl)pyrrolidin-3-ol
PubChem CID162382010
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameethane;5-(methoxymethyl)pyrrolidin-3-ol
SMILESCC.COCC1CC(O)CN1
InChIInChI=1S/C6H13NO2.C2H6/c1-9-4-5-2-6(8)3-7-5;1-2/h5-8H,2-4H2,1H3;1-2H3
InChIKeyGMGQTXLZJJVNTG-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
CID 155904303
(3S,5R)-5-(2-methoxyethyl)pyrrolidin-3-ol
CID 143593756
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
5-(aminomethyl)pyrrolidin-3-ol;methanol
CID 145422369
2-(methoxymethyl)-6-methylpiperidin-4-ol
CID 89196247
5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055756
3-(methoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 22981542
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]pyrrolidin-3-ol
CID 82952206
(2S,4R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 57326561
5-[[cyclopropyl(2-methoxyethyl)amino]methyl]pyrrolidin-3-ol
CID 66056161
2-amino-N-[[(4R)-4-hydroxypyrrolidin-2-yl]methoxy]acetamide
CID 145222763

Frequently Asked Questions

What is the IUPAC name of ethane;5-(methoxymethyl)pyrrolidin-3-ol?
The IUPAC name of ethane;5-(methoxymethyl)pyrrolidin-3-ol (CID 162382010) is ethane;5-(methoxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for ethane;5-(methoxymethyl)pyrrolidin-3-ol?
The canonical SMILES for ethane;5-(methoxymethyl)pyrrolidin-3-ol is CC.COCC1CC(O)CN1.
What is the InChIKey of ethane;5-(methoxymethyl)pyrrolidin-3-ol?
The InChIKey is GMGQTXLZJJVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C2H6/c1-9-4-5-2-6(8)3-7-5;1-2/h5-8H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;5-(methoxymethyl)pyrrolidin-3-ol?
ethane;5-(methoxymethyl)pyrrolidin-3-ol has a molecular weight of 161.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(methoxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 162382010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).